4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-5H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-5H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-(1H-imidazol-5-ylmethyl)-5H-1,4-benzodiazepine-7-carbonitrile CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-5H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-(1H-imidazol-5-ylmethyl)-5H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-1-(1H-imidazol-5-ylmethyl)-5H-1,4-benzodiazepine-7-carbonitrile Formula: C30H28N6O2S MolecularWeight: 536.64732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)N3CC4=C(C=CC(=C4)C#N)N(C=C3CC5=CC=CC=C5)CC6=CN=CN6

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)N3CC4=C(C=CC(=C4)C#N)N(C=C3CC5=CC=CC=C5)CC6=CN=CN6

InChI

InChI=1S/C30H28N6O2S/c31-16-24-10-11-30-27(14-24)19-36(39(37,38)35-13-12-25-8-4-5-9-26(25)18-35)29(15-23-6-2-1-3-7-23)21-34(30)20-28-17-32-22-33-28/h1-11,14,17,21-22H,12-13,15,18-20H2,(H,32,33)